In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 28 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.87 | 7.67 | -48.49 | 0 | 5 | -1 | 64 | 455.364 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.41 | 9.5 | -17.16 | 1 | 5 | 0 | 61 | 456.372 | 7 | ↓ |